4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one

C13H22N4O2 — CID 59084573

IUPAC4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one
SMILES[3H]C(C)NC1[C@@H](CC)O[C@@H](n2ccc(N)nc2=O)[C@H]1C
InChIInChI=1S/C13H22N4O2/c1-4-9-11(15-5-2)8(3)12(19-9)17-7-6-10(14)16-13(17)18/h6-9,11-12,15H,4-5H2,1-3H3,(H2,14,16,18)/t8-,9+,11?,12+/m0/s1/i5T/t5?,8-,9+,11?,12+
InChIKeyIHWJVNCZPFHQCC-ZGVBRIOYSA-N
MW268.35 g/mol
LogP0.75
Rot. Bonds4

About 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one (PubChem CID 59084573) has the molecular formula C13H22N4O2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one
PubChem CID59084573
Molecular FormulaC13H22N4O2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one
SMILES[3H]C(C)NC1[C@@H](CC)O[C@@H](n2ccc(N)nc2=O)[C@H]1C
InChIInChI=1S/C13H22N4O2/c1-4-9-11(15-5-2)8(3)12(19-9)17-7-6-10(14)16-13(17)18/h6-9,11-12,15H,4-5H2,1-3H3,(H2,14,16,18)/t8-,9+,11?,12+/m0/s1/i5T/t5?,8-,9+,11?,12+
InChIKeyIHWJVNCZPFHQCC-ZGVBRIOYSA-N
XLogP0.75
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
CID 59223220
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 135354225
4-amino-1-[(2R,4S,5R)-4-amino-5-ethyl-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 71210588
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142243
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2R,3R,4S,5R)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 688436
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
4-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-yl]pyrimidin-2-one
CID 121336842
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one (CID 59084573) is 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one is [3H]C(C)NC1[C@@H](CC)O[C@@H](n2ccc(N)nc2=O)[C@H]1C.
What is the InChIKey of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is IHWJVNCZPFHQCC-ZGVBRIOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-9-11(15-5-2)8(3)12(19-9)17-7-6-10(14)16-13(17)18/h6-9,11-12,15H,4-5H2,1-3H3,(H2,14,16,18)/t8-,9+,11?,12+/m0/s1/i5T/t5?,8-,9+,11?,12+.
What are the key properties of 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 268.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,5R)-5-ethyl-3-methyl-4-(1-tritioethylamino)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 59084573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).